N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine

C17H26FNO — CID 116762445

IUPACN-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C1(OCC)CCCC1
InChIInChI=1S/C17H26FNO/c1-3-13-19-16(14-7-9-15(18)10-8-14)17(20-4-2)11-5-6-12-17/h7-10,16,19H,3-6,11-13H2,1-2H3
InChIKeyVWVIASZQIVIXSW-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.22
Rot. Bonds7

About N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine

N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine (PubChem CID 116762445) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
PubChem CID116762445
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1)C1(OCC)CCCC1
InChIInChI=1S/C17H26FNO/c1-3-13-19-16(14-7-9-15(18)10-8-14)17(20-4-2)11-5-6-12-17/h7-10,16,19H,3-6,11-13H2,1-2H3
InChIKeyVWVIASZQIVIXSW-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762384
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine (CID 116762445) is N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1)C1(OCC)CCCC1.
What is the InChIKey of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine?
The InChIKey is VWVIASZQIVIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-19-16(14-7-9-15(18)10-8-14)17(20-4-2)11-5-6-12-17/h7-10,16,19H,3-6,11-13H2,1-2H3.
What are the key properties of N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine?
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 116762445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).